Molecular Properties | |
SMILES: | O=C(CCCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)Nc1cccnc1 |
MW: | 410.18 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.33 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5790299310 |
MolPort: | MolPort-008-338-093 |
Long aliphatic chain
MAR-TRE-fd17a9b8-76
1.000
MAR-TRE-fd17a9b8-48
0.673
ALE-HEI-f28a35b5-14
0.382
MAR-TRE-2fd8122f-72
0.340
MAK-UNK-a7b37c5e-5
0.337
MAR-TRE-2fd8122f-20
0.336
MAR-TRE-7f7bb9f0-56
0.330
JOH-IMS-62aeb97d-3
0.330
MAR-TRE-7f7bb9f0-58
0.327
MAR-TRE-fd17a9b8-39
0.327
MAR-TRE-4b834d9a-82
0.327
MAR-TRE-7f7bb9f0-82
0.327
MAR-TRE-9c797165-48
0.327
LON-WEI-120e5cf5-11
0.324
MAR-TRE-04c86cea-31
0.321
MAR-TRE-04c86cea-97
0.320
MAR-TRE-7f7bb9f0-30
0.319
MAR-TRE-67513f76-87
0.317
MAR-TRE-04c86cea-40
0.316
PAU-UNI-b33c5197-1
0.315
MAR-TRE-3e4e6814-59
0.315
MAR-TRE-74c6519b-42
0.312
ALB-THE-e2bfce8e-1
0.311
MAR-TRE-3e4e6814-67
0.311
CHA-MCP-85291e1d-4
0.311
MED-UNK-e6e8ef8a-2
0.310
FRA-FAC-9ed5a63a-2
0.310
MAR-TRE-4b834d9a-97
0.310
MAR-TRE-2fd8122f-62
0.310
MAR-TRE-74c6519b-81
0.309
MAR-TRE-7f7bb9f0-81
0.309
MAR-TRE-b77b7921-66
0.309
MAR-TRE-3e4e6814-50
0.308
MAR-TRE-67513f76-81
0.307
MAR-TRE-04c86cea-93
0.306
THO-SYG-f9b2970d-2
0.306
SAD-SAT-f25ee457-3
0.306
MAK-UNK-c749d764-13
0.305
TAM-UNI-c140e31a-12
0.304
MAR-TRE-9c797165-87
0.304
DAR-DIA-842b4336-14
0.304
AAR-POS-d2a4d1df-13
0.303
FRA-FAC-9ed5a63a-1
0.303
ALE-HEI-f28a35b5-9
0.303
MAR-TRE-b77b7921-80
0.303
MAR-TRE-2fd8122f-100
0.303
NAU-LAT-64f4b287-10
0.302
TAM-UNI-c140e31a-14
0.302
MAR-TRE-3e4e6814-28
0.300
MAK-UNK-ca11b4f7-1
0.300
MED-UNK-e6e8ef8a-5
0.300
JOH-IMS-62aeb97d-5
0.300
MAR-TRE-2fd8122f-45
0.300
FRA-FAC-9ed5a63a-3
0.300
KEI-TRE-d5e2018a-62
0.299
MAR-TRE-2fd8122f-37
0.299
MAR-TRE-67513f76-73
0.298
KEI-TRE-d5e2018a-92
0.297
MED-UNK-e6e8ef8a-3
0.297
DAR-DIA-842b4336-16
0.297
KEI-TRE-d5e2018a-21
0.297
MAR-TRE-b77b7921-74
0.296
JOH-IMS-62aeb97d-4
0.296
MAR-TRE-04c86cea-64
0.296
FOC-CAS-e3a94da8-1
0.296
THO-SYG-f9b2970d-6
0.294
MAR-TRE-7f7bb9f0-74
0.294
MAR-TRE-b77b7921-83
0.294
MAR-TRE-7f7bb9f0-97
0.294
MAR-TRE-7f7bb9f0-15
0.293
DAR-DIA-842b4336-10
0.293
MAR-TRE-9c797165-52
0.292
MAR-TRE-3e4e6814-100
0.292
MAR-TRE-3e4e6814-66
0.292
KAY-MCD-59dc2eb3-1
0.291
MED-UNK-e6e8ef8a-4
0.291
MAR-TRE-d0525fbf-64
0.291
JOR-UNI-2fc98d0b-1
0.291
TAM-UNI-c140e31a-6
0.291
JOH-IMS-62aeb97d-1
0.290
MAR-TRE-2fd8122f-99
0.290
MAR-TRE-04c86cea-35
0.289
MAK-UNK-009ebe36-10
0.289
MAR-TRE-f6f5f473-6
0.289
MAR-TRE-2fd8122f-78
0.288
FRA-FAC-9ed5a63a-4
0.288
MAR-TRE-b77b7921-78
0.288
RED-RED-10c9212c-5
0.288
MAR-TRE-2fd8122f-66
0.288
ANU-FNM-72f8c13c-1
0.288
DAR-DIA-842b4336-11
0.287
DAR-DIA-842b4336-12
0.287
MAR-TRE-b77b7921-91
0.287
MAR-TRE-4b834d9a-31
0.287
MAR-TRE-2fd8122f-94
0.287
MAR-TRE-2fd8122f-30
0.287
MAR-TRE-b77b7921-40
0.286
MAR-TRE-b77b7921-81
0.286
MAK-UNK-a7b37c5e-4
0.286
CHR-SOS-f7373dd1-4
0.286